N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

C13H17FN4O — CID 103880149

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2c(C)noc2C)c1F
InChIInChI=1S/C13H17FN4O/c1-5-10-12(14)13(16-6-15-10)17-7(2)11-8(3)18-19-9(11)4/h6-7H,5H2,1-4H3,(H,15,16,17)
InChIKeyLQWGYUCJHKFNEA-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.96
Rot. Bonds4

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 103880149) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID103880149
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2c(C)noc2C)c1F
InChIInChI=1S/C13H17FN4O/c1-5-10-12(14)13(16-6-15-10)17-7(2)11-8(3)18-19-9(11)4/h6-7H,5H2,1-4H3,(H,15,16,17)
InChIKeyLQWGYUCJHKFNEA-UHFFFAOYSA-N
XLogP2.96
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 103880149) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC(C)c2c(C)noc2C)c1F.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is LQWGYUCJHKFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-5-10-12(14)13(16-6-15-10)17-7(2)11-8(3)18-19-9(11)4/h6-7H,5H2,1-4H3,(H,15,16,17).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 264.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 103880149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).